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2'-(Heptafluorobutyryl)oxy-3,3',4'-trimethoxychalcone

View entire compound with spectra: 1 NMR

2'-(Heptafluorobutyryl)oxy-3,3',4'-trimethoxychalcone
SpectraBase Compound ID KeA91KvrBig
InChI InChI=1S/C22H17F7O6/c1-32-13-6-4-5-12(11-13)7-9-15(30)14-8-10-16(33-2)18(34-3)17(14)35-19(31)20(23,24)21(25,26)22(27,28)29/h4-11H,1-3H3/b9-7+
InChIKey DUYXTFXUFNYWLZ-VQHVLOKHSA-N
Mol Weight 510.36 g/mol
Molecular Formula C22H17F7O6
Exact Mass 510.091335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIYZ3KcVeNE
Name 2'-(Heptafluorobutyryl)oxy-3,3',4'-trimethoxychalcone
Comments Computed using HOSE algorithm
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Exact Mass 510.091335402 u
Formula C22H17F7O6
InChI InChI=1S/C22H17F7O6/c1-32-13-6-4-5-12(11-13)7-9-15(30)14-8-10-16(33-2)18(34-3)17(14)35-19(31)20(23,24)21(25,26)22(27,28)29/h4-11H,1-3H3/b9-7+
InChIKey DUYXTFXUFNYWLZ-VQHVLOKHSA-N
Molecular Weight 510.361 g/mol
SMILES C1(=CC=C(C(=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)OC)C(\C=C\C1=CC(=CC=C1)OC)=O